EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	EUC3JV0O9Y
EPA CompTox	DTXSID50204475

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

EUC3JV0O9Y

EPA CompTox

DTXSID50204475


InChI Key	UWDKOKUSUKKWOT-UHFFFAOYSA-N
Smiles	CC(=C)C(=O)Oc1c(C)cccc1C
InChI	InChI=1S/C12H14O2/c1-8(2)12(13)14-11-9(3)6-5-7-10(11)4/h5-7H,1H2,2-4H3

InChI Key

UWDKOKUSUKKWOT-UHFFFAOYSA-N

Smiles

CC(=C)C(=O)Oc1c(C)cccc1C

InChI

InChI=1S/C12H14O2/c1-8(2)12(13)14-11-9(3)6-5-7-10(11)4/h5-7H,1H2,2-4H3

Property Name	Value
Molecular Formula	C12H14O2
Molecular Weight	190.1
AlogP	2.78
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	26.3
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H14O2

Molecular Weight

190.1

AlogP

2.78

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

26.3

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	55879-73-7
NORMAN SUSDAT
FDA SRS	EUC3JV0O9Y
PubChem	91912
ChemSpider	82992.0

Resources

Reference

CAS NUMBER

55879-73-7

NORMAN SUSDAT

FDA SRS

EUC3JV0O9Y

PubChem

91912

ChemSpider

82992.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2,6-XYLYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References